N-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide

C16H17NO3S — CID 62030071

IUPACN-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCC(=O)c2cccs2)c1
InChIInChI=1S/C16H17NO3S/c1-12(18)17-13-5-2-6-14(11-13)20-9-3-7-15(19)16-8-4-10-21-16/h2,4-6,8,10-11H,3,7,9H2,1H3,(H,17,18)
InChIKeyLBLLDMKJBQMIJC-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.75
Rot. Bonds7

About N-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide

N-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide (PubChem CID 62030071) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide
PubChem CID62030071
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCC(=O)c2cccs2)c1
InChIInChI=1S/C16H17NO3S/c1-12(18)17-13-5-2-6-14(11-13)20-9-3-7-15(19)16-8-4-10-21-16/h2,4-6,8,10-11H,3,7,9H2,1H3,(H,17,18)
InChIKeyLBLLDMKJBQMIJC-UHFFFAOYSA-N
XLogP3.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-oxo-4-thiophen-2-ylbutyl) 3-acetamidobenzoate
CID 7842385
N-[3-(4-oxopentoxy)phenyl]acetamide
CID 62030070
4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
4-(3-methylsulfonylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43807175
4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793680
4-(4-chloro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 62028894
N-[3-(5-hydroxypentoxy)phenyl]acetamide
CID 62229002
N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 34368537
4-(4-oxo-4-thiophen-2-ylbutoxy)benzamide
CID 62031014
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
4-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793596
4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 60656845

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide?
The IUPAC name of N-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide (CID 62030071) is N-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide?
The canonical SMILES for N-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide is CC(=O)Nc1cccc(OCCCC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide?
The InChIKey is LBLLDMKJBQMIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-12(18)17-13-5-2-6-14(11-13)20-9-3-7-15(19)16-8-4-10-21-16/h2,4-6,8,10-11H,3,7,9H2,1H3,(H,17,18).
What are the key properties of N-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide?
N-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide has a molecular weight of 303.38 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide is sourced from PubChem (CID 62030071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).